4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one

C14H18N4O2S2 — CID 56818542

IUPAC4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one
SMILESCCN(CC)c1nc2sc(C(=O)N3CCNC(=O)C3)cc2s1
InChIInChI=1S/C14H18N4O2S2/c1-3-17(4-2)14-16-12-9(22-14)7-10(21-12)13(20)18-6-5-15-11(19)8-18/h7H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyBNMBSGVAIFYMBL-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.78
Rot. Bonds4

About 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one

4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one (PubChem CID 56818542) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one
PubChem CID56818542
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one
SMILESCCN(CC)c1nc2sc(C(=O)N3CCNC(=O)C3)cc2s1
InChIInChI=1S/C14H18N4O2S2/c1-3-17(4-2)14-16-12-9(22-14)7-10(21-12)13(20)18-6-5-15-11(19)8-18/h7H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyBNMBSGVAIFYMBL-UHFFFAOYSA-N
XLogP1.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one (CID 56818542) is 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one is CCN(CC)c1nc2sc(C(=O)N3CCNC(=O)C3)cc2s1.
What is the InChIKey of 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one?
The InChIKey is BNMBSGVAIFYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-3-17(4-2)14-16-12-9(22-14)7-10(21-12)13(20)18-6-5-15-11(19)8-18/h7H,3-6,8H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one?
4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one has a molecular weight of 338.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one is sourced from PubChem (CID 56818542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).